Basic information
- CAS
2427-03-4- Standard SMILES
CNc1ccccc1N(C)C- InChIKey
BXBFTMKSQSKHMF-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- N1,N1,N2-trimethylbenzene-1,2-diamine
- IUPAC
- 1-N,2-N,2-N-trimethylbenzene-1,2-diamine
- English name
- N,N,N'-Trimethyl-o-phenylenediamine
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
N1,N1,N2-trimethylbenzene-1,2-diamineRefChem:831239975-675-62427-03-41,2-Benzenediamine, N,N,N'-trimethyl-N,N,N'-Trimethyl-o-phenylenediamine1-N,1-N,2-N-trimethylbenzene-1,2-diamine1-N,2-N,2-N-trimethylbenzene-1,2-diaminetrimethylphenylenediamineSCHEMBL6568199SCHEMBL9196551SCHEMBL31718394
Show more names
1,2-Benzenediamine, N1,N1,N2-trimethyl-
DTXSID40336390BXBFTMKSQSKHMF-UHFFFAOYSA-NAKOS012390548CS-0223105EN300-113903N~1~,N~1~,N~2~-Trimethylbenzene-1,2-diamine
Database identifiers
- CAS
2427-03-4- PubChem CID
- 533455
- DTXSID
DTXSID40336390- EC Number
- 975-675-6
- Nikkaji
- J80.483E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 62 · 62-64 °C(Press: 1 Torr)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- pka
- 8.05 · 8.05±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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